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canSAR643249
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)[O-].C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc([N+](=O)[O-])cc45)cc3[N+](=O)[O-])cc2)cc1
    InChI
    InChI=1S/C29H23N7O5.CH4O3S/c1-33-14-11-21(12-15-33)30-19-3-5-20(6-4-19)32-29(37)24-9-7-22(17-28(24)36(40)41)31-26-13-16-34(2)27-10-8-23(35(38)39)18-25(26)27;1-5(2,3)4/h3-18H,1-2H3,(H,32,37);1H3,(H,2,3,4)/p+1
    MOLECULAR FORMULA
    C30H28N7O8S+
    CROSS REFERENCES
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    canSAR643249

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 646.17
    AlogP 4.21
    HBond donors 3
    HBond acceptors 15
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR643249.